Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(1S,2S,6R,7R)-4-(4-Cyano-3-trifluoromethyl-phenyl)-1,7-dimethyl-3,5-dioxo-11-oxa-4,9-diaza-tricyclo[5.3.1.0*2,6*]undecane-9-carboxylic acid isopropyl ester
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 PubChem ID
CID: 49863260
Canonical SMILES
CC(C)OC(=O)N1C[C@@]2(C)O[C@@](C)(C1)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12
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Compound Formula C22H22F3N3O5
Compound Structure
Protein Name
 Protein Info 
Androgen receptor
Protein Classification
Transcription factor
>
Nuclear receptor
>
Nuclear hormone receptor subfamily 3
>
Nuclear hormone receptor subfamily 3 group C
>
Nuclear hormone receptor subfamily 3 group C member 4
Uniprot ID
P10275
Gene Name
AR
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000141 LNCaP
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 69 nM
   TI
   LI
   LO
   TS
CL000112 MDA-MB-435
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 12 nM
   TI
   LI
   LO
   TS
CL000284 MDA-MB-453
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 11 nM
   TI
   LI
   LO
   TS